N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide

C17H19F3N4O3S2 — CID 24608650

IUPACN-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H19F3N4O3S2/c18-17(19,20)13-2-1-3-14(12-13)29(26,27)22-5-4-15(25)23-7-9-24(10-8-23)16-21-6-11-28-16/h1-3,6,11-12,22H,4-5,7-10H2
InChIKeyQRJHNMKVMILZQH-UHFFFAOYSA-N
MW448.49 g/mol
LogP2.18
Rot. Bonds6

About N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide

N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 24608650) has the molecular formula C17H19F3N4O3S2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID24608650
Molecular FormulaC17H19F3N4O3S2
Molecular Weight448.49 g/mol
Exact Mass448.09
IUPAC NameN-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H19F3N4O3S2/c18-17(19,20)13-2-1-3-14(12-13)29(26,27)22-5-4-15(25)23-7-9-24(10-8-23)16-21-6-11-28-16/h1-3,6,11-12,22H,4-5,7-10H2
InChIKeyQRJHNMKVMILZQH-UHFFFAOYSA-N
XLogP2.18
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide (CID 24608650) is N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QRJHNMKVMILZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3S2/c18-17(19,20)13-2-1-3-14(12-13)29(26,27)22-5-4-15(25)23-7-9-24(10-8-23)16-21-6-11-28-16/h1-3,6,11-12,22H,4-5,7-10H2.
What are the key properties of N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 448.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24608650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).